Magnetic structure determination and refinement using FullProf.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2025-06-01 Epub Date: 2025-05-28 DOI:10.1107/S2052520625003944

Juan Rodriguez-Carvajal, Javier Gonzalez-Platas, Nebil A Katcho

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引用次数: 0

Abstract

The study of magnetic structures from a crystallographic perspective remains a niche field, largely confined to physical crystallography and microscopic magnetism. Unlike general or superspace crystallography, magnetic structure analysis lacks standardization, primarily due to the small research community and the reliance on specialized experimental techniques like neutron diffraction. However, emerging topics in condensed matter physics, such as topological materials, multiferroics, and skyrmions, have heightened the importance of understanding magnetic ordering. As a result, the analysis of magnetic neutron scattering data is becoming increasingly relevant, requiring unified methodologies. Since 2011, the IUCr Commission on Magnetic Structures has been working to improve the situation. This paper reviews the most commonly used methods for describing magnetic structures and highlights the capabilities of the FullProf Suite for analysing magnetic neutron diffraction data.

查看原文本刊更多论文

利用FullProf进行磁结构的测定和细化。

从晶体学角度研究磁性结构仍然是一个小领域，主要局限于物理晶体学和微观磁学。与一般或超空间晶体学不同，磁结构分析缺乏标准化，主要是由于研究团体小，依赖于专门的实验技术，如中子衍射。然而，凝聚态物理中的新兴课题，如拓扑材料、多铁性材料和skyrmions，提高了理解磁有序的重要性。因此，对磁中子散射数据的分析变得越来越重要，需要统一的方法。自2011年以来，IUCr磁性结构委员会一直在努力改善这种情况。本文回顾了描述磁性结构最常用的方法，并强调了FullProf套件分析磁性中子衍射数据的能力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.